Research workbench
Il-17A in complex with small molecule modulators
Analyse Il-17A in complex with small molecule modulators in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AMG
- Type
- protein
- Length
- 407 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-17A
- UniProt
- Q16552
- Ligands
- RMQ
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 4% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-17A | protein | 102 | 4% helix, 55% strand | Q16552 |
| B | Interleukin-17A | protein | 104 | 4% helix, 54% strand | Q16552 |
| C | Interleukin-17A | protein | 100 | 4% helix, 58% strand | Q16552 |
| D | Interleukin-17A | protein | 101 | 4% helix, 54% strand | Q16552 |
Ligands and binding sites
- RMQ · (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl) propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl) oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]b utanoic acid · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 790 | 0.73 | 0.78 | 70 | RMQ |
| 2 | 692 | 0.72 | 0.78 | 61 | RMQ |
| 3 | 304 | 0.53 | 0.74 | 31 | empty |
| 4 | 123 | 0.48 | 0.79 | 16 | empty |
| 5 | 116 | 0.45 | 0.78 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2360 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 2294 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 342 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q16552
- Elsewhere: RCSB PDB 7AMG · PDBe 7AMG · UniProt Q16552
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